2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride

C6H9ClN2O3 — CID 91758172

IUPAC2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride
SMILESCc1oc(CN)nc1C(=O)O.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-3-5(6(9)10)8-4(2-7)11-3;/h2,7H2,1H3,(H,9,10);1H
InChIKeyBNUYQFGNGPQWES-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.56
Rot. Bonds2

About 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride

2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 91758172) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride
PubChem CID91758172
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride
SMILESCc1oc(CN)nc1C(=O)O.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-3-5(6(9)10)8-4(2-7)11-3;/h2,7H2,1H3,(H,9,10);1H
InChIKeyBNUYQFGNGPQWES-UHFFFAOYSA-N
XLogP0.56
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride (CID 91758172) is 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride is Cc1oc(CN)nc1C(=O)O.Cl.
What is the InChIKey of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride?
The InChIKey is BNUYQFGNGPQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.ClH/c1-3-5(6(9)10)8-4(2-7)11-3;/h2,7H2,1H3,(H,9,10);1H.
What are the key properties of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride?
2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride has a molecular weight of 192.60 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 91758172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).